4-methoxy-2-(trifluoromethyl)butan-1-amine

C6H12F3NO — CID 82534369

IUPAC4-methoxy-2-(trifluoromethyl)butan-1-amine
SMILESCOCCC(CN)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-11-3-2-5(4-10)6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyGAPGQAXOTAYQOW-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.16
Rot. Bonds4

About 4-methoxy-2-(trifluoromethyl)butan-1-amine

4-methoxy-2-(trifluoromethyl)butan-1-amine (PubChem CID 82534369) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is 4-methoxy-2-(trifluoromethyl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-2-(trifluoromethyl)butan-1-amine
PubChem CID82534369
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name4-methoxy-2-(trifluoromethyl)butan-1-amine
SMILESCOCCC(CN)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-11-3-2-5(4-10)6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyGAPGQAXOTAYQOW-UHFFFAOYSA-N
XLogP1.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methoxy-2-methylbutan-1-amine
CID 58388303
4-(Trifluoromethoxy)butan-1-amine
CID 75406291
3-Methyl-1-(2,2,2-trifluoroethoxy)butan-1-amine
CID 123923046
(2,2-Difluorocyclopropyl)-methoxymethanamine
CID 134455963
(3S)-3-fluoro-4-methoxybutan-1-amine
CID 134463015
1-(Trifluoromethoxy)butan-1-amine
CID 158341195
4-Ethoxy-2,2-difluorobutan-1-amine
CID 163250603
(1S)-3-methyl-1-(trifluoromethoxy)butan-1-amine
CID 177117874
(1S)-1-(difluoromethoxy)-3-methylbutan-1-amine
CID 177282070
4-(2,2,2-Trifluoroethoxy)butan-1-amine
CID 20115727
2-Methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62505182
2-Ethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62505910

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(trifluoromethyl)butan-1-amine?
The IUPAC name of 4-methoxy-2-(trifluoromethyl)butan-1-amine (CID 82534369) is 4-methoxy-2-(trifluoromethyl)butan-1-amine.
What is the SMILES notation for 4-methoxy-2-(trifluoromethyl)butan-1-amine?
The canonical SMILES for 4-methoxy-2-(trifluoromethyl)butan-1-amine is COCCC(CN)C(F)(F)F.
What is the InChIKey of 4-methoxy-2-(trifluoromethyl)butan-1-amine?
The InChIKey is GAPGQAXOTAYQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-11-3-2-5(4-10)6(7,8)9/h5H,2-4,10H2,1H3.
What are the key properties of 4-methoxy-2-(trifluoromethyl)butan-1-amine?
4-methoxy-2-(trifluoromethyl)butan-1-amine has a molecular weight of 171.16 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(trifluoromethyl)butan-1-amine is sourced from PubChem (CID 82534369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).